2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)

C36H28N4O2Pt — CID 153441427

About 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441427) has the molecular formula C36H28N4O2Pt and a molecular weight of 746.74 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441427
• Molecular Formula: C36H28N4O2Pt
• Molecular Weight: 746.74 g/mol
• Exact Mass: 746.20
• IUPAC Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: [2H]C([2H])([2H])c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)ccc3)[c-]c1n2-c1cc(OC)ccn1.[Pt+2]
• InChI: InChI=1S/C36H28N4O2.Pt/c1-23-13-16-33-32(19-23)31-15-14-30(21-34(31)39(33)35-22-28(41-4)17-18-37-35)42-29-12-8-11-27(20-29)40-25(3)36(24(2)38-40)26-9-6-5-7-10-26;/h5-19,22H,1-4H3;/q-2;+2/i1D3
• InChIKey: UXDFFYQNGNEVMX-NIIDSAIPSA-N
• XLogP: 8.36
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.74
LogP ≤ 5	8.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+) (CID 153441427) is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+) is [2H]C([2H])([2H])c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)ccc3)[c-]c1n2-c1cc(OC)ccn1.[Pt+2].

What is the InChIKey of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is UXDFFYQNGNEVMX-NIIDSAIPSA-N. The full InChI is InChI=1S/C36H28N4O2.Pt/c1-23-13-16-33-32(19-23)31-15-14-30(21-34(31)39(33)35-22-28(41-4)17-18-37-35)42-29-12-8-11-27(20-29)40-25(3)36(24(2)38-40)26-9-6-5-7-10-26;/h5-19,22H,1-4H3;/q-2;+2/i1D3;.

What are the key properties of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 746.74 g/mol, XLogP of 8.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).